ChemSpider 2D Image | (4beta,5beta,6alpha,17alpha,22R)-4,5,6,14,17,20-Hexahydroxy-22,26-epoxyergosta-2,24-diene-1,26-dione | C28H40O9

(4β,5β,6α,17α,22R)-4,5,6,14,17,20-Hexahydroxy-22,26-epoxyergosta-2,24-diene-1,26-dione

  • Molecular FormulaC28H40O9
  • Average mass520.612 Da
  • Monoisotopic mass520.267212 Da
  • ChemSpider ID295493

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4β,5β,6α,17α,22R)-4,5,6,14,17,20-Hexahydroxy-22,26-epoxyergosta-2,24-dien-1,26-dion [German] [ACD/IUPAC Name]
(4β,5β,6α,17α,22R)-4,5,6,14,17,20-Hexahydroxy-22,26-epoxyergosta-2,24-diene-1,26-dione [ACD/IUPAC Name]
(4β,5β,6α,17α,22R)-4,5,6,14,17,20-Hexahydroxy-22,26-époxyergosta-2,24-diène-1,26-dione [French] [ACD/IUPAC Name]
Ergosta-2,24-diene-1,26-dione, 22,26-epoxy-4,5,6,14,17,20-hexahydroxy-, (4β,5β,6α,17α,22R)- [ACD/Index Name]
17S,20S,22R-4β,5β,6α,14α,17β,20α-hexahydroxy-1-oxo-ergosta-2,24-dienolide
78285-97-9 [RN]
WITHAPERUVIN

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NCI60_002929 [DBID]
NSC334387 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 723.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.6±6.0 kJ/mol
Flash Point: 237.1±26.4 °C
Index of Refraction: 1.643
Molar Refractivity: 131.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 0.42
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.13
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.13
Polar Surface Area: 165 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 75.9±3.0 dyne/cm
Molar Volume: 363.4±3.0 cm3

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